[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-phenylmethanone

C18H22N4O2 — CID 91628252

IUPAC[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-phenylmethanone
SMILESCN(C)c1nccnc1OC1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C18H22N4O2/c1-21(2)16-17(20-11-10-19-16)24-15-9-6-12-22(13-15)18(23)14-7-4-3-5-8-14/h3-5,7-8,10-11,15H,6,9,12-13H2,1-2H3
InChIKeyMJAIMBHPDZVSRW-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.23
Rot. Bonds4

About [3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-phenylmethanone

[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-phenylmethanone (PubChem CID 91628252) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is [3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-phenylmethanone
PubChem CID91628252
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-phenylmethanone
SMILESCN(C)c1nccnc1OC1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C18H22N4O2/c1-21(2)16-17(20-11-10-19-16)24-15-9-6-12-22(13-15)18(23)14-7-4-3-5-8-14/h3-5,7-8,10-11,15H,6,9,12-13H2,1-2H3
InChIKeyMJAIMBHPDZVSRW-UHFFFAOYSA-N
XLogP2.23
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-pyridin-2-ylmethanone
CID 91628265
[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-thiophen-2-ylmethanone
CID 100658231
[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 100657586
3-[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 91628240
[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-[(3S)-1-methylpiperidin-3-yl]methanone
CID 100658000
[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 100657758
(2-bromophenyl)-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone
CID 91914160
[(3R)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 100658983
N-(2-chloroethyl)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carboxamide
CID 117054833
2-[2-[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 91628278
(4R)-4-[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 100659423
1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-methoxyethanone
CID 91914172

Frequently Asked Questions

What is the IUPAC name of [3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-phenylmethanone?
The IUPAC name of [3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-phenylmethanone (CID 91628252) is [3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-phenylmethanone?
The canonical SMILES for [3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-phenylmethanone is CN(C)c1nccnc1OC1CCCN(C(=O)c2ccccc2)C1.
What is the InChIKey of [3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-phenylmethanone?
The InChIKey is MJAIMBHPDZVSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-21(2)16-17(20-11-10-19-16)24-15-9-6-12-22(13-15)18(23)14-7-4-3-5-8-14/h3-5,7-8,10-11,15H,6,9,12-13H2,1-2H3.
What are the key properties of [3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-phenylmethanone?
[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-phenylmethanone has a molecular weight of 326.40 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 91628252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).